Pharmacophore Modeling, Synthesis, and Antibacterial Evaluation of Chalcones and Derivatives.

ABSTRACT: A series of novel chalcone and thiol-Michael addition analogues was synthesized and tested against Mycobacterium tuberculosis and other clinically significant bacterial pathogens. Previously reported chalcone-like antibacterials (1a-c and 2) were used as a training set to generate a pharmacophore model. The chalcone derivative hit compound 3 was subsequently identified through a pharmacophore-based virtual screen of the Specs library of >200 000 compounds. Among the newly synthesized chalcones and thiol-Michael addition analogues, chalcones 6r and 6s were active (minimum inhibitory concentrations (MICs) = 1.56-6.25 μg/mL) against Gram-positive pathogens Bacillus anthracis and Staphylococcus aureus [methicillin-susceptible S.

SUBMITTER: Zhang M 

PROVIDER: S-EPMC6312637 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature